methyl 7,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate
| Internal ID | b45e208d-60c2-4e2a-a120-51e7fdf15710 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 16-oxosteroids |
| IUPAC Name | methyl 7,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate |
| SMILES (Canonical) | CC1CC(C2(CCC3(C(=CCC4C3(CCC(C4(C)CC(=O)OC)C(C)(C)C(=O)OC)C)C2C1(C)O)C)C(=O)OC)O |
| SMILES (Isomeric) | CC1CC(C2(CCC3(C(=CCC4C3(CCC(C4(C)CC(=O)OC)C(C)(C)C(=O)OC)C)C2C1(C)O)C)C(=O)OC)O |
| InChI | InChI=1S/C33H52O8/c1-19-17-23(34)33(27(37)41-10)16-15-30(5)20(25(33)32(19,7)38)11-12-22-29(4,18-24(35)39-8)21(13-14-31(22,30)6)28(2,3)26(36)40-9/h11,19,21-23,25,34,38H,12-18H2,1-10H3 |
| InChI Key | GPFIXSHMOBZNPJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H52O8 |
| Molecular Weight | 576.80 g/mol |
| Exact Mass | 576.36621861 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.68% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.91% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.04% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.80% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.51% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.39% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.67% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.19% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.82% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.55% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.48% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.27% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.09% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.96% | 96.90% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.35% | 95.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Musanga cecropioides |
| PubChem | 14845555 |
| LOTUS | LTS0184180 |
| wikiData | Q105014797 |